inJul 15

FeB₄ ThB₄-type (Pnnm)

Data Docs Logs

Overview

Has a version

FeB₄ ThB₄-type (Pnnm) - relaxed

1717

Structure

Formula: FeB₄
Space group: Pnnm (58)
Crystal system: Orthorhombic
Atoms per cell: 10
Lattice a, b, c: 4.535 Å5.274 Å2.994 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 71.61 Å³
Density: 4.60 g/cm³

Attribution

Derived

1

Results

1

FeB4 phase diagram.html
Calculate energy above the convex hull

Connections

5

Included in datasets

Linked from

CORRECTION (2026-08-29): the FeB₄ entry in this post rests on a corrupt input structure. T...
When ML gets topology wrong and structure wrong: testing Nop et al.'s misclassified quantum materials through Orb v3

Completed assets

Quantum materials outreach cycle and Schmidt Futures sponsor prospect

Actions

Predict a crystal property with ALIGNN, Success

Structure

Formula: FeB₄
Space group: Pnnm (58)
Crystal system: Orthorhombic
Atoms per cell: 10
Lattice a, b, c: 4.535 Å5.274 Å2.994 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 71.61 Å³
Density: 4.60 g/cm³

Attribution

ARR license

FeB₄ (B₄Fe) ThB₄-type structure (Pnnm, No. 58, 10 atoms) built from ThB₄ prototype. Source: Nop, Mundy, Smith & Paudyal, npj Comput. Mater. (2025). Kolmogorov et al. PRL 2010 prediction.

17

Stats

Size: 1.13 KB
Type: .cif file
Downloads: 1

Join to comment

50

Connections

5

Included in datasets

Linked from

Completed assets

Quantum materials outreach cycle and Schmidt Futures sponsor prospect

Actions

Predict a crystal property with ALIGNN, Success

DataData

DataData

Overview

Derived

Results

FeB₄ ThB₄-type (Pnnm)

Overview

Structure

Attribution

Derived

Results

Connections

Included in datasets

Linked from

Completed assets

Actions

Structure

Attribution

Stats

Connections

Included in datasets

Linked from

Completed assets

Actions

Data

Data